SCHEMBL6052178

SCHEMBL6052178

CC(C)(C)COc1ccc([N+](=O)[O-])cc1Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TDP1 Q9NUW8 3/20 0.43
HTT P42858 1/20 0.41
MAPT P10636 5/20 0.40
ALDH1A1 P00352 4/20 0.40
CYP3A4 P08684 2/20 0.40
GAA P10253 1/20 0.40
S1PR4 O95977 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 2/20 0.39
NPC1 O15118 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6704146 0.85 MPI (0.42) KMT2AMEN1L3MBTL1TDP1MAPT
SCHEMBL2911094 0.83 KMT2A (0.58) KMT2AMEN1L3MBTL1TDP1HTT
SCHEMBL30791420 0.80 TDP1 (0.47) KMT2AMEN1L3MBTL1TDP1HTT
SCHEMBL6576087 0.80 TDP1 (0.47) KMT2AMEN1L3MBTL1TDP1HTT
SCHEMBL8322081 0.80 KMT2A (0.43) KMT2AMEN1L3MBTL1TDP1HTT
SCHEMBL31415500 0.79 S1PR4 (0.48) KMT2AMEN1L3MBTL1TDP1HTT
SCHEMBL13140933 0.79 MAPT (0.51) KMT2AMEN1L3MBTL1TDP1MAPT
SCHEMBL6052357 0.79 SMN1; SMN2 (0.44) KMT2AMEN1L3MBTL1TDP1HTT
SCHEMBL5857540 0.78 VCAM1 (0.50) KMT2AMEN1TDP1MAPTALDH1A1
SCHEMBL31174878 0.78 S1PR4 (0.44) KMT2AMEN1L3MBTL1TDP1HTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7015218-B1 Amide compounds and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2006-03-21 US disclosed
EP-1176140-B1 AMIDE COMPOUNDS AND MEDICINAL USE THEREOF MITSUBISHI PHARMA CORP (JP) 2004-12-29 EP disclosed
EP-1176140-A1 AMIDE COMPOUNDS AND MEDICINAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2002-01-30 EP disclosed